Geometry & MOs

Info

ID:	251575
PubChem CID:	103104991
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-97.94
Dipole, Da:	4.33
IP(EA), eV:	-9.87(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC2CCCO2)C

DOS

IR

Vibrations